Phenylbutazone
PubChem CID: 4781
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| Compound Synonyms | phenylbutazone, 50-33-9, 4-Butyl-1,2-diphenylpyrazolidine-3,5-dione, Butapirazol, Butazolidin, Fenilbutazona, Butadion, Diphenylbutazone, Butazolidine, Fenibutazona, Fenylbutazon, Intrabutazone, Artrizin, Butacote, Butadiona, Diphebuzol, Ecobutazone, Fenibutol, Intrazone, Phebuzine, Azolid, Butoz, Buzon, Phenylbutazonum, Butapyrazole, Equipalazone, Flexazone, Bute, Alkabutazona, Butapirazole, Chembutazone, Mephabutazon, Mephabutazone, Praecirheumin, Scanbutazone, Alqoverin, Anpuzone, Anuspiramin, Arthrizon, Artrizone, Artropan, Azobutyl, Bunetzone, Butacompren, Butagesic, Butalgina, Butalidon, Butarecbon, Butartril, Butartrina, Butazina, Butazona, Butidiona, Butylpyrin, Buvetzone, Digibutina, Diossidone, Eributazone, Febuzina, Fenartil, Fenibutal, Fenibutasan, Fenilbutina, Fenilbutine, Fenilidina, Fenotone, Intalbut, Ipsoflame, Malgesic, Merizone, Nadazone, Nadozone, Novophenyl, Phebuzin, Phenbutazol, Phenopyrine, Phenylbutaz, Phenyzone, Pyrabutol, Pyrazolidin, Rectofasa, Reumasyl, Reumazin, Reumazol, Reumuzol, Reupolar, Robizone, Rubatone, Zolaphen, Alindor, Anerval, Antadol, Benzone, Betazed, Bizolin, Busone, Butaluy, Butone, Diozol, Elmedal, Lingel, Reudox, Reumune, Kadol, Reudo, Uzone, Butiwas-Simple, Neo-zoline, Phenyl-Mobuzon, Equi bute, Exrheudon N, Robizone-V, 4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione, Robizon-V, Phenylbutazon, Butaphen, Shigrodin, Tevcodyne, Azdid, Ia-But, Pirarreumol B, Buta phen, 4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine, Bizolin 200, Phenbutazone, Schemergin, Butatron, Wescozone, Tazone, Phen-Buta-Vet, Phenyzene, Tencodyne, Therazone, Todalgil, Zolidinum, Tetnor, Ticinil, 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-, B.t.z., Mepha-Butazon, 3,5-Dioxo-1,2-diphenyl-4-N-butylpyrazolidine, 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, Phenyl butazone, Usaf ge-15, R-3-ZON, 4-n-Butyl-1,2-diphenyl-3,5-pyrazolidinedione, VAC-10, A 7514, DA-192, 1,2-Diphenyl-4-butyl-3,5-pyrazolidinedione, 3,5-Dioxo-1,2-diphenyl-4-n-butyl-pyrazolidin, G 13,871, 1,2-Diphenyl-3,5-dioxo-4-butylpyrazolidine, 1,2-Diphenyl-4-butyl-3,5-dioxopyrazolidine, CHEBI:48574, Fenilbutazon, MFCD00005500, NSC-25134, GN5P7K3T8S, 50-33-9 (free form), MLS000069424, Butadionum, Schemergen, DTXSID9021136, NCI-C55414, 'Esteve', NCGC00015846-10, NCGC00015846-11, Fenilbutazone, SMR000059073, Fenilbutazone [DCIT], Phenylbutazon [German], G-13871, P1Z, DTXCID601136, Fenilbutazona [INN-Spanish], Phenylbutazonum [INN-Latin], CAS-50-33-9, CCRIS 2374, component of Azolid-A, HSDB 3159, 3,5-Dioxe-4 buty-1, diphenyl-pyrazolidine, NCI-C56531, SR-01000000004, AZOLID (TN), EINECS 200-029-0, NSC 25134, G 13871, UNII-GN5P7K3T8S, BRN 0290080, Alkazone, Phenogel, Phen-Buta, Pirarreumol 'B', Phenylbutazone [USP:INN:BAN:JAN], 1,5-dioxopyrazolidine, Spectrum_001079, 4-Butyl-1,5-dione, Opera_ID_888, Spectrum2_001282, Spectrum3_000675, Spectrum4_000477, Spectrum5_001335, Lopac-P-8386, Phenylbutazone (Standard), P1686, Epitope ID:124940, P 8386, PHENYLBUTAZONE [MI], SCHEMBL3632, PHENYLBUTAZONE [INN], PHENYLBUTAZONE [JAN], Lopac0_000993, Oprea1_416494, BSPBio_002369, KBioGR_000954, KBioSS_001559, PHENYLBUTAZONE [HSDB], PHENYLBUTAZONE [IARC], MLS001148412, MLS002152929, DivK1c_000331, PHENYLBUTAZONE [VANDF], SPECTRUM1500482, SPBio_001283, PHENYLBUTAZONE [MART.], 1,5-dioxo-4-butylpyrazolidine, 3, 4-butyl-1,2-diphenyl-, 4-Butyl-1,5-dioxopyrazolidine, 4-Butyl-1,5-pyrazolidinedione, GTPL7270, PHENYLBUTAZONE [USP-RS], PHENYLBUTAZONE [WHO-DD], 1,3-dioxo-4-N-butylpyrazoline, HMS501A13, HY-B0230R, KBio1_000331, KBio2_001559, KBio2_004127, KBio2_006695, KBio3_001589, NINDS_000331, Phenylbutazone (JP18/USP/INN), BCPP000108, HMS1920H06, HMS2090H17, HMS2091P08, HMS2233B13, HMS3263G07, HMS3369P16, HMS3649M17, HMS3651G15, HMS3715E21, HMS3884C06, Pharmakon1600-01500482, Phenylbutazone, analytical standard, component of Azolid-A (Salt/Mix), Phenylbutazone - Bio-X trade mark, PHENYLBUTAZONE [GREEN BOOK], BCP02607, HY-B0230, NSC25134, 3,2-diphenyl-4-N-butylpyrazolidine, PHENYLBUTAZONE [ORANGE BOOK], Tox21_110242, Tox21_110243, Tox21_201809, Tox21_302763, Tox21_500993, 3,2-diphenyl-4-N-butyl-pyrazolidin, AC-683, CCG-39220, NSC757272, PHENYLBUTAZONE [EP MONOGRAPH], s1654, STK388348, PHENYLBUTAZONE [USP MONOGRAPH], AKOS001592731, Phenylbutazone (Butazolidin, Butatron), Tox21_110242_1, DB00812, FP26944, KS-5127, LP00993, NSC-757272, SDCCGSBI-0050966.P005, WLN: T5VNNV EHJ BR& CR& E4, IDI1_000331, NCGC00015846-01, NCGC00015846-02, NCGC00015846-03, NCGC00015846-04, NCGC00015846-05, NCGC00015846-06, NCGC00015846-07, NCGC00015846-08, NCGC00015846-09, NCGC00015846-12, NCGC00015846-13, NCGC00015846-15, NCGC00015846-27, NCGC00023855-03, NCGC00023855-04, NCGC00023855-05, NCGC00023855-06, NCGC00023855-07, NCGC00023855-08, NCGC00181112-01, NCGC00256449-01, NCGC00259358-01, NCGC00261678-01, 4297-92-1, BP166190, SBI-0050966.P004, DB-051755, SUXIBUZONE IMPURITY A [EP IMPURITY], EU-0100993, NS00000675, SW199456-2, UNM000001255503, 1,2-diphenyl-3,5-dioxo-4-butyl-pyrazolidine, Phenylbutazone, SAJ special grade, >=99.0%, 1,2-diphenyl-3,5-dioxo-4-n-butylpyrazolidine, C07440, D00510, EN300-126733, 1,2-diphenyl-3,5-dioxo-4-n-butyl-pyrazolidine, AB00052071-15, AB00052071-16, AB00052071_17, AB00052071_18, A828072, AG-205/04675049, Q421342, SR-01000000004-2, SR-01000000004-4, SR-01000000004-5, SR-01000000004-9, BRD-K10843433-001-12-8, BRD-K10843433-001-20-1, BRD-K10843433-001-21-9, BRD-K10843433-001-22-7, BRD-K10843433-001-23-5, SR-01000000004-13, Z57355370, Phenylbutazone, TraceCERT(R), certified reference material, Phenylbutazone, European Pharmacopoeia (EP) Reference Standard, Phenylbutazone, United States Pharmacopeia (USP) Reference Standard, InChI=1/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H |
|---|---|
| Topological Polar Surface Area | 40.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 389.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P35354, P23219, P08684, P11712, Q16647, Q9NSA0, Q4U2R8, Q8SPQ9, P05979, Q63921, P02768, P04055, P19224, O60656, O35956, Q8TCC7, O94956, Q9NPD5, Q9Y6L6, O14684, n.a., P0DTD1 |
| Iupac Name | 4-butyl-1,2-diphenylpyrazolidine-3,5-dione |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Target Id | NPT212, NPT31, NPT30, NPT669 |
| Xlogp | 3.2 |
| Superclass | Benzenoids |
| Molecular Formula | C19H20N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VYMDGNCVAMGZFE-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -3.48 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | 3.597 |
| Synonyms | 3,5-Dioxo-1,2-diphenyl-4-N-butylpyrazolidine, 4-BUTYL-1,2-diphenyl-pyrazolidine-3,5-dione, 4-N-Butyl-1,2-diphenyl-3,5-pyrazolidinedione, Fenilbutazona, Phenbutazone, Phenylbutazon, Phenylbutazonum, Azolid, Butacote, Butapirazol, Fenilbutazon, Butadion, Butadione, Butapyrazole, Butazolidin, Diphenylbutazone |
| Compound Name | Phenylbutazone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 308.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.152 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 308.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Esol | -3.7988491565217397 |
| Inchi | InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 |
| Smiles | CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzene and substituted derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Tanacetum Microphyllum (Plant) Rel Props:Source_db:npass_chem_all